title: 1-Carboxymethyl-3-methyl-1H-imidazol-3-ium chloride 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions.
abstract: The title compound, C6H9N2O2(+)·Cl(-)·C6H8N2O2·H2O, contains one 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate inner salt molecule, one 1-carboxymethyl-3-methyl-1H-imidazol-3-ium cation, one chloride ion and one water molecule. In the extended structure, chloride anions and water molecules are linked via O-H···Cl hydrogen bonds, forming an infinite one-dimensional chain. The chloride anions are also linked by two weak C-H···Cl interactions to neighbouring methylene groups and imidazole rings. Two imidazolium moieties form a homoconjugated cation through a strong and asymmetric O-H···O hydrogen bond of 2.472 (2) Å. The IR spectrum shows a continuous D-type absorption in the region below 1300 cm(-1) and is different to that of 1-carboxymethyl-3-methylimidazolium chloride [Xuan, Wang & Xue (2012). Spectrochim. Acta Part A, 96, 436-443].
authors.affiliation: School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang 453007, People's Republic of China.
authors.forename: Heng
authors.initials: H
authors.lastname: Zhang
authors.forename: Liangliang
authors.initials: L
authors.lastname: Chang
authors.forename: Na
authors.initials: N
authors.lastname: Wang
authors.forename: Xiaopeng
authors.initials: X
authors.lastname: Xuan
keywords: DFT calculations; crystal structure; imidazolium chloride salts; ion solvation; ionic liquids